Vitas-M small molecule compound
2-amino-1-(dimethylamino)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK774045
SMILES CCSc1sc(cc1C1C2=C(CC(CC2=O)c2ccccc2)N(C(=C1C#N)N)N(C)C)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H30N4OS2 MW 478.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4OS2/c1-5-18-14-19(26(33-18)32-6-2)23-20(15-27)25(28)30(29(3)4)21-12-17(13-22(31)24(21)23)16-10-8-7-9-11-16/h7-11,14,17,23H,5-6,12-13,28H2,1-4H3InChIKey
VBWITZSAPVJGSN-UHFFFAOYSA-NSynonyms
2amino1(dimethylamino)4(5ethyl2(ethylsulfanyl)thiophen3yl)5oxo7phenyl145678hexahydroquinoline3carbonitrile
2amino1(dimethylamino)4(5ethyl2ethylsulfanylthiophen3yl)5oxo7phenyl4678tetrahydroquinoline3carbonitrile
CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)N(C)C)N)C#N
InChI=1SC26H30N4OS2c15181419(26(3318)3262)2320(1527)25(28)30(29(3)4)211217(1322(31)24(21)23)16108791116h711141723H56121328H214H3
MFCD03856009
ZINC000001440786
ZINC000001440789
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